SCHEMBL7447362

SCHEMBL7447362

CCCCOC(C)(C)C[O]

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ATM Q13315 1/20 0.33
TSHR P16473 4/20 0.32
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7364148 0.91 CA1 (0.39) CA1CA2TSHRCA12CA7
SCHEMBL3290589 0.79 TSHR (0.41) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL8987497 0.79 ADRB2 (0.39) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL10780556 0.77 CYP3A4 (0.39) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL30940577 0.77 ADRB2 (0.38) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL11003484 0.75 TSHR (0.42) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL126725 0.75 ADRB2 (0.36) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL30940559 0.75 ADRB2 (0.36) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL25919320 0.75 ADRB2 (0.42) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL13825811 0.75 ADRB2 (0.36) CYP3A4ADRB2ADRB1ADRB3ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957915-A1 AGENT FOR INHIBITION OF CYTOKINE PRODUCTION AND AGENT FOR INHIBITION OF CELL ADHESION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-11-24 EP disclosed
WO-1998014191-A1 AGENT FOR INHIBITION OF CYTOKINE PRODUCTION AND AGENT FOR INHIBITION OF CELL ADHESION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-04-09 WO disclosed
US-4532239-A N-phenoxypropanol-N'-pyridazinyl ethylendiamines as β-receptor blockers CASSELLA AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed
EP-0054946-B1 BASIC SUBSTITUTED PYRIDAZINES, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1984-08-15 EP disclosed
EP-0054946-A1 Basic substituted pyridazines, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1982-06-30 EP disclosed
US-4216314-A CARDIOSELECTIVE B-ADRENOLYTIC AGENTS, ANTIARRHYTHMIC AGENTS AND HYPOTENSIVE AGENTS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DE) 1980-08-05 US disclosed